| SpectraBase Compound ID | KieK6wRE71e |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-4-6-7-11-17(10-5-2)18-12-8-9-13-19(18)24-15-14-23-16-20(21)22-3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey | IERWJUUVZOVEPL-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jlti6xTcrm |
|---|---|
| Name | Np2Ecme - isomer o |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-4-6-7-11-17(10-5-2)18-12-8-9-13-19(18)24-15-14-23-16-20(21)22-3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey | IERWJUUVZOVEPL-UHFFFAOYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C=1(C(OCCOCC(=O)OC)=CC=CC1)C(CCC)CCCCC |